FNIST
Last updated
Last updated
Running a simulation with EOS6 requires thermophysical properties (density, viscosity, enthalpy, ...... ) of the gas component which are stored in a file named "gas_properties.dat". User may create this file manually through downloading the thermophysical property data for a requested gas (see for details). If a simulation is run with an executable which includes Python interface, TOUGH4 can automatically fetch these data from and create the file "gas_properties.dat". FNIST is used to specify the parameters required for fetching data from the NIST web site.
FNIST was originally designed for EOS6 simulation. User may also use it to get fluid property data for model validation of other EOS modules.
FNIST Introduces parameters for fetching thermophysical property data of a specific gas from NIST Chemistry WebBook. The property data are fetched for given pressure and temperature conditions in user specified pressure and temperature range.
Record FNIST.1
Free format for 7 parameters, or FORMAT (I5, 6E10.4)
GasIndex, P_Begin, P_end, dP, T_Begin, T_ene, dT
GasIndex Index of the gas. User may find it from the list at the bottom of this page.
P_Begin Beginning of the pressure range , in MPa.
P_end ending of the pressure range, P_end must be large than P_Begin, in MPa.
dP The pressure increment, in MPa.
T_Begin Beginning of the temperature range , in oC.
T_end ending of the temperature range, T_end must be large than T_Begin, in oC.
dT The temperature increment, in oC.
Fetching data from NIST website could be slow. User may only request the pressure and temperature range that can fully cover the pressure and temperature of current simulation. The pressure and temperature increment must be reasonable. It is suggested to limit the dimension of table less than 1000, (P_end-P_begin)/dP<1000 and (T_end-T_begin)/dT<1000.
The data fetching will be performed at first run only. If "gas_properties.dat" is already exist in the working directory, the fetching process will be skipped.
To use this functionality, a TOUGH4 executable with Python interface must be run. Two Python files (fetchWebBookData.py and TOUGH_python_module.py) in the TOUGH4 distribution package must be copied to the location where the TOUGH4 executable is located.
Followings are the index of gases/fluids that are included in :
1, Water 2, Nitrogen 3, Hydrogen 4, Parahydrogen 5, Orthohydrogen 6, Deuterium 7, Oxygen 8, Fluorine 9, Carbon monoxide 10, Carbon dioxide 11, Dinitrogen monoxide 12, Deuterium oxide 13, Methanol 14, Methane 15, Ethane 16, Ethene 17, Propane 18, Propene 19, Propyne 20, Cyclopropane 21, Butane 22, Isobutane 23, Pentane 24, 2-Methylbutane 25, 2,2-Dimethylpropane 26, Hexane 27, 2-Methylpentane 28, Cyclohexane 29, Heptane 30, Octane 31, Nonane 32, Decane 33, Dodecane 34, Helium 35, Neon 36, Argon 37, Krypton 38, Xenon 39, Ammonia 40, Nitrogen trifluoride 41, Trichlorofluoromethane 42, Dichlorodifluoromethane (R12) 43, Chlorotrifluoromethane (R13) 44, Tetrafluoromethane (R14) 45, Dichlorofluoromethane (R21) 46, Methane, chlorodifluoro- (R22) 47, Trifluoromethane (R23) 48, Methane, difluoro- (R32) 49, Fluoromethane (R41) 50, 1,1,2-Trichloro-1,2,2-trifluoroethane (R113) 51, 1,2-Dichloro-1,1,2,2-tetrafluoroethane (R114) 52, Chloropentafluoroethane (R115) 53, Hexafluoroethane (R116) 54, Ethane, 2,2-dichloro-1,1,1-trifluoro- (R123) 55, Ethane, 1-chloro-1,2,2,2-tetrafluoro- (R124) 56, Ethane, pentafluoro- (R125) 57, Ethane, 1,1,1,2-tetrafluoro- (R134a) 58, 1,1-Dichloro-1-fluoroethane (R141b) 59, 1-Chloro-1,1-difluoroethane (R142b) 60, Ethane, 1,1,1-trifluoro- (R143a) 61, Ethane, 1,1-difluoro- (R152a) 62, Octafluoropropane (R218) 63, 1,1,1,2,3,3,3-Heptafluoropropane (R227ea) 64, 1,1,1,2,3,3-Hexafluoropropane (R236ea) 65, 1,1,1,3,3,3-Hexafluoropropane (R236fa) 66, 1,1,2,2,3-Pentafluoropropane (R245ca) 67, 1,1,1,3,3-Pentafluoropropane (R245fa) 68, Octafluorocyclobutane (RC318) 69, Benzene 70, Toluene 71, Decafluorobutane 72, Dodecafluoropentane 73, Sulfur dioxide 74, Hydrogen sulfide 75, Sulfur hexafluoride 76, Carbonyl sulfide
Used in: EOS6 module, can also be used for model validation for all other EOS modules.
Example:
FNIST
36, 0.1, 80., 0.5, 30., 50., 5.0
//obtained Argon thermophysical property data for pressure range 0.1-80Mpa, temperature range 30-50 oC with increment 0.5Mpa and 5.0 oC, respectively.